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748776-69-4 | N,N-diethyl-3-[4-(1-methoxypropan-2-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]benzene-1-sulfonamide
CAS No: 748776-69-4 Catalog No: AG019HHB MDL No:MFCD03653085
Product Description
Catalog Number:
AG019HHB
Chemical Name:
N,N-diethyl-3-[4-(1-methoxypropan-2-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]benzene-1-sulfonamide
CAS Number:
748776-69-4
Molecular Formula:
C16H24N4O3S2
Molecular Weight:
384.5168
MDL Number:
MFCD03653085
IUPAC Name:
N,N-diethyl-3-[4-(1-methoxypropan-2-yl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]benzenesulfonamide
InChI:
InChI=1S/C16H24N4O3S2/c1-5-19(6-2)25(21,22)14-9-7-8-13(10-14)15-17-18-16(24)20(15)12(3)11-23-4/h7-10,12H,5-6,11H2,1-4H3,(H,18,24)
InChI Key:
IRTUJKXUSUMDAJ-UHFFFAOYSA-N
SMILES:
COCC(n1c(S)nnc1c1cccc(c1)S(=O)(=O)N(CC)CC)C
Properties
Complexity:
599
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
384.129g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
384.513g/mol
Monoisotopic Mass:
384.129g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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